Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.72 |
| ▸ | HPGD | P15428 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9443408 | 0.98 | TSHR (0.76) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Ethylene Glycol SCHEMBL10954362 | 0.95 | TSHR (0.75) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Ethylene Glycol SCHEMBL5050413 | 0.95 | TSHR (0.75) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Hexane SCHEMBL8110181 | 0.94 | TSHR (0.76) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Ethylene Glycol SCHEMBL5050410 | 0.93 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL6685941 | 0.93 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Nonanol SCHEMBL21638808 | 0.93 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| 1,6-Hexanediol SCHEMBL22389547 | 0.93 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| SCHEMBL6689995 | 0.93 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 | |
| Butyl Alcohol SCHEMBL10954715 | 0.93 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4HCAR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5913004-A | Optical glass fiber coating composition | DSM N.V. (NL) | 1999-06-15 | — | — | US | disclosed |
| US-4128635-A | Cosmetic emulsions containing copolymers of alkyl (meth) acrylates and mono- or polyhydroxyalkyl (meth) acrylates | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1978-12-05 | — | — | US | disclosed |